methyl 4,5-dimethyl-2-[3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-3-(3-oxo-1,4-benzothiazin-4-yl)propyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 2-[3-(3-keto-1,4-benzothiazin-4-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2C(=O)CSC3=CC=CC=C32)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2C(=O)CSC3=CC=CC=C32)C

InChI

InChI=1S/C19H20N2O4S2/c1-11-12(2)27-18(17(11)19(24)25-3)20-15(22)8-9-21-13-6-4-5-7-14(13)26-10-16(21)23/h4-7H,8-10H2,1-3H3,(H,20,22)